Basic information
- CAS
70844-07-4- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(C)C)C(O)C(C)O1.Cl- InChIKey
IADHBFAQBJCNGN-UHFFFAOYSA-N- Molecular formula
- C30H36ClNO10
- Average molar mass
- 606.1 g/mol
- Monoisotopic mass
- 605.202774
Names & identifiers
- Preferred name
- N-Isopropyldaunorubicin hydrochloride
- IUPAC
- 9-acetyl-6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(propan-2-ylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Names & synonyms
N-Isopropyldaunorubicin hydrochlorideN-Isopropyldaunorubicin HCl5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-((1-methylethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-NSC 267211
Database identifiers
- CAS
70844-07-4- PubChem CID
- 153271
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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